Re: [ccp4bb] ccp4 pack_images program?

2007-08-24 Thread P.J.Briggs
Hi Bill I mean to pick this up earlier in the week but somehow it slipped through my net. Sorry. Anyhows: pack_c.c and pack_f.f are not programs but essentially subroutine libraries. You would need to write your own program to actually use them (I'm not sure that there's any documentation btw...)

Re: [ccp4bb] diffraction images images/jpeg2000

2007-08-24 Thread Winter, G (Graeme)
Hi James, On the gathering of the data from all possible beamline / source / detector combinations below, I am also keen to get hold of these. To assist with this I have written a couple of bash shell scripts which will tar, gzip and split into 128MB chunks data, then reverse this process to ensu

Re: [ccp4bb] diffraction images images/jpeg2000

2007-08-24 Thread Winter, G (Graeme)
Hi James, The old mar345 images were compressed with the "pack" which Bill is referring to. This is suppoprted in CBFlib. PNG and jpeg2000 may well do "better" at compression (would like to see the numbers with this) but are likely to be much slower than something customised for use with diffract

Re: [ccp4bb] diffraction images images/jpeg2000

2007-08-24 Thread Harry Powell
Hi Lossy compression should be okay, provided that the errors introduced are smaller than those expected for counting statistics (assuming that the pixels are more-or-less independent) - i.e. less than the square-root of the individual pixel intensities (though I don't see why this can't be e

Re: [ccp4bb] diffraction images images/jpeg2000

2007-08-24 Thread Gerard Bricogne
Dear all, I think we need to stop and think right here. The errors in pixel values of images are neither Poisson (i.e. forget about taking square roots) nor independent. Our ideas about image statistics are already disastrously poor enough: the last thing we need is to make matters even worse

[ccp4bb] centrosymm structure

2007-08-24 Thread Bernhard Rupp
Dear All, there was a paper (quite) a while ago where someone made for the first time a racemic protein mixture, obtained a centrosymmetric structure and solved it (not the 2003 PNAS paper by the Eisenberg grp). Hints appreciated. Thx, br

Re: [ccp4bb] centrosymm structure

2007-08-24 Thread Soisson, Stephen Michael
oopss...Not science: Proteins: Structure, Function, and Genetics Volume 16, Issue 3 , Pages 301 - 305 (1993) -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Soisson, Stephen Michael Sent: Friday, August 24, 2007 10:59 AM To: CCP4BB@JISCMAIL.AC.UK Subj

Re: [ccp4bb] diffraction images images/jpeg2000

2007-08-24 Thread Harry Powell
Wow. I don't know about the rest of you, but I got told three times. Gerard is, of course, right about pixel non-independence (think "point spread function", among other things), and I wouldn't care to argue statistics with him, but as far as I know (and I could well be wrong) most of the in

Re: [ccp4bb] centrosymm structure

2007-08-24 Thread Soisson, Stephen Michael
Jeremy Berg, Rubredoxin. In Science around 1995. Steve -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Bernhard Rupp Sent: Friday, August 24, 2007 10:57 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] centrosymm structure Dear All, there was a paper (

[ccp4bb] postdoctoral positions available

2007-08-24 Thread Van Den Berg, Bert
Two postdoctoral positions are available immediately to study structure-function relationships of integral membrane proteins. One position (funded by NIH) will focus on the transport mechanism of hydrophobic compounds across the bacterial outer membrane as mediated by FadL-family proteins. The

[ccp4bb] Mosflm v 7.0.1 Mac Intel pre-built executable.

2007-08-24 Thread Harry Powell
Hi folks If you've recently downloaded a pre-built copy of Mosflm version 7.0.1 for Intel Mac (including the universal binary) and been surprised by the need for libgfortran.1.dylib, read on. Otherwise, feel free to ignore this! It seems my attempts to produce a statically linked OS X executa

Re: [ccp4bb] diffraction images images/jpeg2000

2007-08-24 Thread Gerard Bricogne
Dear Harry, Sorry, this did end up sounding harsher than I intended, and it could have done with a few judiciously placed smileys :) . My mailer may also have been overzealous: there was no intention of bombarding you with disapproval. I was simply trying to say that we are still far f

Re: [ccp4bb] centrosymm structure

2007-08-24 Thread Bart Hazes
Hi Bernhard, Type: centrosymmetric rubredoxin in google and you'll get a few papers including what I think was the original work by Zawadzke & Berg. Bart Zawadzke LE, Berg JM. Related Articles, Links AbstractThe structure of a centrosymmetric protein crystal. Proteins. 1993 Jul;16(

[ccp4bb] Questions about diffraction

2007-08-24 Thread Michel Fodje
Dear Crystallographers, Here are a few paradoxes about diffraction I would like to get some answers about: 1. In every description of Braggs' law I've seen, the in-coming waves have to be in phase. Why is that? Given that the sources used for diffraction studies are mostly non-coherent. 2. Trying

[ccp4bb] PX Jobs Team Leader, Postdoc, Tech (SGC-Oxford).txt

2007-08-24 Thread Frank von Delft
My group has several vacancies to fill immediately: a Team Leader for Infrastructure and Methods Development; two postdoc positions; and a technician. This is the Protein Crystallography group of the Structural Genomics Consortium, Oxford. For details, please see respectively: Team Leader:

Re: [ccp4bb] Questions about diffraction

2007-08-24 Thread Ethan Merritt
On Friday 24 August 2007 12:22, Michel Fodje wrote: > 1. In every description of Braggs' law I've seen, the in-coming waves > have to be in phase. Why is that? Given that the sources used for > diffraction studies are mostly non-coherent. Think of Bragg's Law as explaining what happens to a singl

Re: [ccp4bb] Questions about diffraction

2007-08-24 Thread Dale Tronrud
Michel Fodje wrote: Dear Crystallographers, Here are a few paradoxes about diffraction I would like to get some answers about: ... 3. What happens to the photon energy when waves destructively interfere as mentioned in the text books. Doesn't 'destructive interference' appear to violate the f

Re: [ccp4bb] Questions about diffraction

2007-08-24 Thread Michel Fodje
> > 1. In every description of Braggs' law I've seen, the in-coming waves > > have to be in phase. Why is that? Given that the sources used for > > diffraction studies are mostly non-coherent. > > Think of Bragg's Law as explaining what happens to a single photon > that is probabilistically scatte

Re: [ccp4bb] Questions about diffraction

2007-08-24 Thread Michel Fodje
> For every direction where there is destructive interference and a > loss of energy there is a direction where there is constructive > interference that piles up energy. If you integrate over all directions > energy is conserved. For the total integrated energy to be conserved, energy will have

Re: [ccp4bb] Questions about diffraction

2007-08-24 Thread Michel Fodje
> You are just using the coherent fraction of the beam. My point is that Braggs' law as currently understood does not preclude the diffraction from waves which were non-coherent before hitting the sample > It is not clear at all how you arrive to that condition. By definition, if > two waves are n

Re: [ccp4bb] Questions about diffraction

2007-08-24 Thread Jacob Keller
>For the total integrated energy to be conserved, energy will have to be >created in certain directions to compensate for the loss in other >directions. So in a direction in which the condition is met, the total >will have to be more than the sum of the waves in that direction. >How about consider

Re: [ccp4bb] Questions about diffraction

2007-08-24 Thread William Scott
On Fri, 24 Aug 2007 14:40:13 -0600 Michel Fodje <[EMAIL PROTECTED]> wrote: The mathematics works but doesn't necessarily mean the current interpretation of the mathematics has any resemblance to what actually happens in reality. Sure, it does. Crystallography is traditionally

Re: [ccp4bb] Questions about diffraction

2007-08-24 Thread Dale Tronrud
Michel Fodje wrote: For every direction where there is destructive interference and a loss of energy there is a direction where there is constructive interference that piles up energy. If you integrate over all directions energy is conserved. For the total integrated energy to be conserved, en

Re: [ccp4bb] Questions about diffraction

2007-08-24 Thread James Stroud
Here's a fun way to think of it: A photon hits a crystal and will diffract off in a certain direction with the same energy as the original photon. The direction is subject to a probability distribution based on the lattice, with angles at the diffraction conditions being most likely and the br

Re: [ccp4bb] Questions about diffraction

2007-08-24 Thread James Stroud
Without resorting to a circular argument? You are asking too much. However, this probability distribution is perfectly described by considering a component wave model wherein coherence of the component waves correlates with peaks in the probability distribution--i.e. Bragg's Law. IANAM (I am

Re: [ccp4bb] Questions about diffraction

2007-08-24 Thread Michel Fodje
Would it be taking it too far to suggest that one could go all the way and consider that each electron diffracts not as groups in a plane but as individual electrons and a photon impinging on an electron with with a specific phase will be diffracted in a specific direction. However the lattice arra

[ccp4bb] Off Topic:crystallization in the presence of glycerol

2007-08-24 Thread Rob Gruninger
Dear All, I am working with a protein that requires 10% glycerol throughout the purification to keep it soluble. I have been very worried that having glycerol in my protein solution when I am trying to crystallize it will prevent me from obtaining crystals. I am curious to see if others have succes

Re: [ccp4bb] Off Topic:crystallization in the presence of glycerol

2007-08-24 Thread Edward Berry
We've grown crystals of the cytochrome bc1 complex in the presence of glycerol. I think as high as 25% in the initial droplet (protein in 50% glycerol mixed with equal volume of precipitant), but that was diluted somewhat by reverse vapor diffusion. Glycerol tends to increase the solubility in ou

Re: [ccp4bb] Questions about diffraction

2007-08-24 Thread Dale Tronrud
The "Bragg planes" are a contrivance of our invention to make the math simpler and allow us to converse in shorthand terms like "Bragg's Law". The photon's wave function interacts with the wave functions of every electron it overlaps with, which is many unit cells because our photons have quit

Re: [ccp4bb] Off Topic:crystallization in the presence of glycerol

2007-08-24 Thread James Whisstock
We have crystallised many things with 10% Glycerol. If % is high enough, there is also often the added bonus in that the crystals are naturally cryoprotected! J Edward Berry <[EMAIL PROTECTED]> wrote:> > We've grown crystals of the cytochrome bc1 complex in the > presence of glycerol. > > I t

Re: [ccp4bb] Off Topic:crystallization in the presence of glycerol

2007-08-24 Thread Artem Evdokimov
On several occasions we've had to use 5-10% glycerol in the protein. Remember to add the same to all your screens since otherwise the vapor diffusion often works 'backwards' (i.e. the drops get fatter with time). Artem -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED]

Re: [ccp4bb] Off Topic:crystallization in the presence of glycerol

2007-08-24 Thread bputcha
I have crystallized a refolded membrane protein in presence of Glycerol. It did not seem to affect crystallizability and speed of crystallization. If you have no luck in presence of glycerol, try to lower the glycerol concentration without compromising on the stability of the protein (buffer e